thieno[3,2-c]isochromen-5-one

C11H6O2S — CID 134948008

IUPACthieno[3,2-c]isochromen-5-one
SMILESO=c1oc2ccsc2c2ccccc12
InChIInChI=1S/C11H6O2S/c12-11-8-4-2-1-3-7(8)10-9(13-11)5-6-14-10/h1-6H
InChIKeyVYFHZAGBWLIKKY-UHFFFAOYSA-N
MW202.23 g/mol
LogP3.01
Rot. Bonds

About thieno[3,2-c]isochromen-5-one

thieno[3,2-c]isochromen-5-one (PubChem CID 134948008) has the molecular formula C11H6O2S and a molecular weight of 202.23 g/mol. Its IUPAC name is thieno[3,2-c]isochromen-5-one.

Molecular Properties

Compound Namethieno[3,2-c]isochromen-5-one
PubChem CID134948008
Molecular FormulaC11H6O2S
Molecular Weight202.23 g/mol
Exact Mass202.01
IUPAC Namethieno[3,2-c]isochromen-5-one
SMILESO=c1oc2ccsc2c2ccccc12
InChIInChI=1S/C11H6O2S/c12-11-8-4-2-1-3-7(8)10-9(13-11)5-6-14-10/h1-6H
InChIKeyVYFHZAGBWLIKKY-UHFFFAOYSA-N
XLogP3.01
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of thieno[3,2-c]isochromen-5-one?
The IUPAC name of thieno[3,2-c]isochromen-5-one (CID 134948008) is thieno[3,2-c]isochromen-5-one.
What is the SMILES notation for thieno[3,2-c]isochromen-5-one?
The canonical SMILES for thieno[3,2-c]isochromen-5-one is O=c1oc2ccsc2c2ccccc12.
What is the InChIKey of thieno[3,2-c]isochromen-5-one?
The InChIKey is VYFHZAGBWLIKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6O2S/c12-11-8-4-2-1-3-7(8)10-9(13-11)5-6-14-10/h1-6H.
What are the key properties of thieno[3,2-c]isochromen-5-one?
thieno[3,2-c]isochromen-5-one has a molecular weight of 202.23 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[3,2-c]isochromen-5-one is sourced from PubChem (CID 134948008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).